CID 18668114

5-(methoxycarbonyl)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula

C₇H₆N₂O₄

SMILES

COC(=O)C1=NC=C(N=C1)C(=O)O

InChI

InChI=1S/C7H6N2O4/c1-13-7(12)5-3-8-4(2-9-5)6(10)11/h2-3H,1H3,(H,10,11)

InChIKey

NHTJPSWLHXHXSA-UHFFFAOYSA-N

Compound name

5-methoxycarbonylpyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 182.03276 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.04004	135.4
[M+Na]+	205.02198	146.6
[M+NH4]+	200.06658	140.8
[M+K]+	220.99592	143.6
[M-H]-	181.02548	133.7
[M+Na-2H]-	203.00743	140.1
[M]+	182.03221	136.1
[M]-	182.03331	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe